1-[(4-hydroxypiperidin-4-yl)methyl]-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-[(4-hydroxypiperidin-4-yl)methyl]-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
1-[(4-hydroxypiperidin-4-yl)methyl]-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | SB11-0431 |
| Compound Name: | 1-[(4-hydroxypiperidin-4-yl)methyl]-N-{3-[(pyrrolidin-1-yl)methyl]phenyl}-1H-1,2,3-triazole-4-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 420.94 |
| Molecular Formula: | C20 H28 N6 O2 |
| Salt: | HCl |
| Smiles: | C1CCN(C1)Cc1cccc(c1)NC(c1cn(CC2(CCNCC2)O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2982 |
| logD: | -3.4489 |
| logSw: | -1.7644 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.667 |
| InChI Key: | AHFBLVGONXOIHH-UHFFFAOYSA-N |